N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide

C16H26N2O2 — CID 79667923

IUPACN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-18(12-16(2,3)11-17)15(19)13-6-8-14(20-4)9-7-13/h6-9H,5,10-12,17H2,1-4H3
InChIKeySAMZMJZEELZMFW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide (PubChem CID 79667923) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
PubChem CID79667923
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-10-18(12-16(2,3)11-17)15(19)13-6-8-14(20-4)9-7-13/h6-9H,5,10-12,17H2,1-4H3
InChIKeySAMZMJZEELZMFW-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
CID 113439418
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide (CID 79667923) is N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide is CCCN(CC(C)(C)CN)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide?
The InChIKey is SAMZMJZEELZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-10-18(12-16(2,3)11-17)15(19)13-6-8-14(20-4)9-7-13/h6-9H,5,10-12,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 79667923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).